NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3302 8.3293 119.1176 54.4610 29.1612 173.6923 4 P 4.4544 0.0000 0.0000 60.8613 33.1339 174.3151 5 H 4.7408 8.6904 121.0593 54.4068 32.6832 174.0767 6 Q 4.4238 8.3189 128.1224 55.5044 30.4982 174.2947 7 I 4.8018 8.8799 127.9471 60.1979 39.4093 174.6394 8 I 4.8955 8.6631 127.7760 59.4984 39.7470 174.7745 9 L 4.7649 9.1317 128.9899 53.9831 42.9565 175.6844 10 L 5.0545 8.9321 127.1449 53.3401 44.0287 175.1111 11 A 4.6294 8.5214 127.8795 49.7751 22.4720 174.9849 12 H 4.7810 8.3124 116.5225 56.2057 29.6309 175.9700 13 G 4.4378 8.5395 109.7110 45.0550 0.0000 172.2834 14 S 4.6021 7.7270 111.5884 57.4751 64.4942 175.8988 15 S 4.1787 8.7215 118.4301 59.7448 63.6988 174.3269 16 D 4.4361 8.3006 122.6556 53.7576 41.6045 176.1143 17 A 4.0355 8.6725 129.4892 55.3782 18.5872 179.0632 18 R 3.8519 8.0524 116.7135 59.1958 30.2690 178.1077 19 W 4.2167 8.6828 128.1233 60.9703 30.7493 177.6951 20 C 4.4167 8.3468 115.9947 62.8802 27.6144 175.6111 21 E 3.9943 8.5369 121.0676 59.7616 29.1218 179.0772 22 T 3.7251 7.9584 115.4924 66.7197 68.4968 176.7283 23 F 3.9020 7.9352 119.1310 60.3227 38.6796 177.6199 24 E 4.0427 8.5925 118.0487 59.3675 29.5119 179.0202 25 K 4.0749 8.2090 119.6263 59.4201 32.0168 178.8119 26 L 3.9068 7.8211 118.3286 57.6710 41.7505 178.9513 27 A 4.1924 8.1896 120.0231 54.0235 18.4353 179.1959 28 E 3.8484 7.7875 118.2498 59.0163 29.8357 177.0464 29 P 4.2341 0.0000 0.0000 65.8502 31.3895 178.7079 30 T 3.8492 7.7781 113.8538 66.9308 68.3384 177.1762 31 V 3.7044 7.8020 112.7730 64.0628 31.5945 177.9673 32 E 4.2345 8.2646 117.2657 58.1035 29.6283 178.1171 33 S 4.5515 7.7523 113.6217 58.0998 63.8223 174.1101 34 I 4.6843 7.0115 113.3460 58.4484 40.2924 175.1415 35 E 4.0645 8.5676 121.0201 57.4144 30.5419 176.3404 36 N 4.1302 8.7669 116.0685 54.6312 35.8811 173.8675 37 A 5.3416 7.7020 116.9433 50.3214 22.6486 176.7037 38 A 4.6653 8.8239 122.0536 50.5024 23.2041 175.1827 39 I 4.5445 8.2724 120.0972 60.3438 39.3183 174.7698 40 A 4.7389 8.8750 128.8121 50.7810 22.5972 174.8492 41 Y 5.6718 8.7168 117.5448 56.0280 41.9620 174.4045 *43 E 4.0049 8.5717 119.0521 57.8184 31.3070 177.6299 44 L 3.7015 8.9502 115.9235 55.4887 40.5015 174.6060 45 A 4.6321 7.4479 118.8858 50.3528 22.1887 174.6862 46 E 4.9707 8.4405 118.9618 54.1004 32.0504 174.1496 47 P 4.8248 0.0000 0.0000 62.2534 33.5745 175.8585 48 S 5.0630 8.7598 116.6151 57.1405 64.6167 174.7513 49 L 3.9116 8.6230 121.1561 58.3169 41.7201 178.2553 50 D 4.2741 8.0596 117.4711 57.6752 41.2243 178.2469 51 T 3.9051 7.9292 116.2215 66.6913 68.3796 176.8158 52 I 3.7686 7.7259 121.6909 64.2826 37.0394 178.7334 53 V 3.4216 7.9551 119.3850 65.8691 31.2761 177.4335 54 N 4.1377 8.5152 117.1385 56.8570 38.4147 177.0769 55 R 3.9399 8.1273 119.0901 59.2015 30.1554 178.9119 56 A 4.0374 8.3693 120.8261 54.8639 18.2937 179.6561 57 K 4.3632 8.1069 120.0337 59.2651 32.1788 179.2840 58 G 3.7596 8.3444 104.8679 47.2309 0.0000 174.4546 59 Q 4.5747 7.5307 117.8668 55.3664 29.1355 176.5031 60 G 3.9039 8.2356 108.4878 45.1760 0.0000 174.0407 61 V 3.8083 8.1217 121.1245 62.3074 32.2298 175.9044 62 E 4.7998 8.6088 124.3370 55.9959 32.6215 175.2111 63 Q 5.1508 7.6444 118.8460 53.9747 31.9361 174.6131 64 F 5.2173 9.2953 121.5622 55.9772 43.9236 174.0429 65 T 5.0778 8.8780 117.2348 61.9542 72.2602 173.1871 66 V 4.3785 8.9710 127.8194 62.1403 33.0796 174.8427 67 V 4.5353 8.8113 129.4674 60.4676 33.1383 172.8928 68 P 4.8196 0.0000 0.0000 62.1738 32.1395 177.3198 69 L 4.8810 8.7043 128.8887 53.6437 39.4435 176.7413 70 F 4.8277 7.7851 118.1461 55.5073 43.4553 176.8418 71 L 4.1343 8.7812 124.4235 57.3526 41.9506 176.8979 72 A 4.9376 7.6838 118.2069 50.3946 22.0750 175.2571 73 A 4.2253 8.4703 124.1731 51.5759 20.3707 179.1255 74 G 3.9675 8.2232 119.3603 46.2481 0.0000 174.8578 *76 H 4.7269 8.2471 119.4073 54.6079 30.2322 173.6612 77 L 3.4434 7.6705 123.0685 59.3502 40.6852 181.5647 78 R 4.1354 8.1025 116.0183 59.0603 30.0205 178.0600 79 K 4.3510 8.6908 118.3970 58.1718 33.0897 178.4381 80 D 4.3251 7.8822 117.4240 57.2679 40.9184 178.5840 81 V 3.6968 7.1599 116.5572 65.5801 31.8596 175.8808 82 P 4.4035 0.0000 0.0000 65.2823 31.2039 178.7310 83 A 4.3528 7.6681 119.8322 52.4489 17.8885 179.4539 *85 I 4.0189 7.9573 121.8403 62.9987 39.4916 177.9524 86 E 3.8834 8.2917 120.4749 59.2930 29.2875 178.9077 87 R 3.8690 7.9216 118.5651 59.4059 30.0853 178.5330 88 L 3.9932 7.7871 118.3359 57.7529 41.7397 179.0554 89 E 4.0009 8.4469 118.6214 59.3563 29.1678 179.4225 90 A 3.9418 7.6611 119.3606 55.1668 18.6324 178.9681 91 E 3.9438 8.3473 116.9814 58.8905 29.7875 177.7193 92 H 4.8225 8.2869 113.1848 54.0018 30.5573 174.2477 93 G 3.9754 8.0554 108.9014 47.1491 0.0000 172.7713 94 V 4.6991 7.4991 108.8098 59.6440 36.5526 176.4610 95 T 4.7950 8.6483 118.1535 62.0682 70.8001 173.8884 96 I 5.0367 9.0771 127.4542 59.4766 40.0937 175.2465 97 R 4.2390 9.0256 128.6548 55.6903 31.6222 175.0233 98 L 4.8385 8.4034 127.7496 53.3515 42.7636 175.7685 99 A 4.4825 8.8625 129.3630 51.0034 19.3374 176.8801 100 E 4.0811 8.6767 117.3961 55.3323 30.4754 175.4256 101 P 4.6207 0.0000 0.0000 62.6300 32.1944 177.2462 102 I 3.7335 8.5962 114.5141 64.1664 37.3795 178.4528 103 G 4.3012 7.9638 108.2070 47.2504 0.0000 174.5568 104 K 4.1303 7.9743 118.3695 57.8548 32.7366 176.5716 105 N 4.6855 8.0407 119.2989 51.9161 39.7308 174.0470 106 P 4.3291 0.0000 0.0000 65.6786 31.3529 178.8393 107 R 3.9640 8.5713 117.3590 59.2275 29.8305 178.9855 108 L 4.0991 7.9745 118.6063 57.7427 41.6589 179.6463 109 G 3.6911 8.1106 105.1759 47.8364 0.0000 175.5758 110 L 4.0169 7.8547 120.6457 57.4385 41.6617 179.3001 111 A 3.9780 8.0870 120.7387 55.2439 18.2541 179.6752 112 I 3.6229 8.0923 118.6794 64.4656 37.0861 178.4998 113 R 3.8722 8.0011 119.4230 59.6956 30.0157 178.2145 114 D 4.3333 8.2238 118.5774 57.3589 40.7781 179.0793 115 V 3.5603 7.9344 118.7152 65.9676 31.5431 178.2247 116 V 3.5829 8.1198 118.3905 65.9165 31.3399 177.9857 117 K 3.9341 8.3441 118.4961 59.6205 31.9237 179.0537 118 E 3.9766 8.0773 118.3742 59.5763 29.3406 179.3795 119 E 4.0075 8.3665 118.6294 59.0435 29.5044 179.1494 120 L 3.9094 8.3649 120.9744 58.0363 42.1069 178.4725 121 E 3.8841 8.2238 119.2728 59.4009 29.3206 178.6960 122 R 3.8632 7.7572 117.2095 59.7090 30.1894 178.3456 123 S 4.2939 8.1070 113.7362 61.1202 63.0628 175.7515 124 E 4.4192 8.6694 121.7622 58.0350 29.7975 176.6836 *125 H 4.4116 8.3148 120.6081 54.6449 28.0927 180.4008 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Q 8.33 4.33 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 P 0.00 4.45 0.00 2.17 2.02 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 5 H 8.69 4.74 0.00 3.08 3.18 0.00 5.91 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.32 4.42 0.00 1.75 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.62 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 7 I 8.88 4.80 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.09 0.93 0.00 0.00 8 I 8.66 4.90 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.91 0.00 0.00 9 L 9.13 4.76 0.00 1.50 1.59 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.93 5.05 0.00 1.77 1.60 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.52 4.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.31 4.78 0.00 3.30 3.36 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.54 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.73 4.60 0.00 2.96 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.72 4.18 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.30 4.44 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.67 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.05 3.85 0.00 2.04 2.21 0.00 3.31 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.26 0.00 19 W 8.68 4.22 0.00 3.73 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.35 4.42 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.54 3.99 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 22 T 7.96 3.73 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 23 F 7.94 3.90 0.00 3.36 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.59 4.04 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 25 K 8.21 4.07 0.00 1.96 1.86 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.35 7.81 26 L 7.82 3.91 0.00 1.69 1.64 0.37 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.19 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.79 3.85 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 29 P 0.00 4.23 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 30 T 7.78 3.85 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 V 7.80 3.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.03 0.00 0.00 32 E 8.26 4.23 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 33 S 7.75 4.55 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.01 4.68 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.90 0.00 0.00 35 E 8.57 4.06 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 36 N 8.77 4.13 0.00 2.86 2.79 0.00 0.00 6.62 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.70 5.34 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.82 4.67 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.27 4.54 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.82 0.87 0.00 0.00 40 A 8.87 4.74 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.72 5.67 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 E 8.57 4.00 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 44 L 8.95 3.70 0.00 1.80 1.76 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.45 4.63 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.44 4.97 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 47 P 0.00 4.82 0.00 2.16 2.22 0.00 3.91 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.01 0.00 48 S 8.76 5.06 0.00 3.96 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.62 3.91 0.00 1.77 1.69 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.06 4.27 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.93 3.91 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 52 I 7.73 3.77 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.87 0.99 0.00 0.00 53 V 7.96 3.42 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.43 0.00 0.00 54 N 8.52 4.14 0.00 2.96 2.91 0.00 0.00 7.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.13 3.94 0.00 2.18 1.99 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 56 A 8.37 4.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.11 4.36 0.00 2.07 2.09 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.41 7.81 58 G 8.34 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.53 4.57 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.57 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 60 G 8.24 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.12 3.81 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.80 0.00 0.00 62 E 8.61 4.80 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 63 Q 7.64 5.15 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 64 F 9.30 5.22 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.88 5.08 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 66 V 8.97 4.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 67 V 8.81 4.54 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 68 P 0.00 4.82 0.00 2.26 2.06 0.00 3.88 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 69 L 8.70 4.88 0.00 1.49 1.73 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 F 7.79 4.83 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.78 4.13 0.00 1.79 1.76 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.68 4.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.47 4.23 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.22 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 H 8.25 4.73 0.00 2.88 2.99 0.00 7.21 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.67 3.44 0.00 1.64 1.73 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.10 4.14 0.00 1.83 2.01 0.00 3.08 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 79 K 8.69 4.35 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 80 D 7.88 4.33 0.00 2.60 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.16 3.70 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.88 0.00 0.00 82 P 0.00 4.40 0.00 2.17 2.07 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 83 A 7.67 4.35 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 I 7.96 4.02 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.89 0.00 0.00 86 E 8.29 3.88 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 87 R 7.92 3.87 0.00 2.08 1.88 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 88 L 7.79 3.99 0.00 1.78 1.62 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.45 4.00 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 90 A 7.66 3.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.35 3.94 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.23 0.00 92 H 8.29 4.82 0.00 3.20 3.27 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.06 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.50 4.70 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.79 0.00 0.00 95 T 8.65 4.79 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 96 I 9.08 5.04 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.55 0.91 0.00 0.00 97 R 9.03 4.24 0.00 1.95 1.85 0.00 3.08 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 98 L 8.40 4.84 0.00 1.66 1.57 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.86 4.48 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.68 4.08 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 101 P 0.00 4.62 0.00 2.46 2.30 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 102 I 8.60 3.73 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.98 0.00 0.00 103 G 7.96 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.97 4.13 0.00 1.95 1.97 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.53 7.81 105 N 8.04 4.69 0.00 2.75 2.76 0.00 0.00 7.03 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.33 0.00 2.20 2.10 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 107 R 8.57 3.96 0.00 1.93 1.99 0.00 3.13 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 108 L 7.97 4.10 0.00 1.87 1.72 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.11 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.85 4.02 0.00 1.82 1.72 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.09 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.09 3.62 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.91 0.00 0.00 113 R 8.00 3.87 0.00 1.98 2.11 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 114 D 8.22 4.33 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.93 3.56 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 116 V 8.12 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 117 K 8.34 3.93 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 118 E 8.08 3.98 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 119 E 8.37 4.01 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 120 L 8.36 3.91 0.00 1.85 1.82 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.22 3.88 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 122 R 7.76 3.86 0.00 1.93 2.14 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 123 S 8.11 4.29 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.67 4.42 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 *125 H 8.31 4.41 0.00 2.92 2.83 0.00 7.23 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.